Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N LYS 44.A O no hydrogen 2.846 N/A VAL 4.A N ASP 78.A OD2 no hydrogen 2.849 N/A VAL 5.A N LYS 46.A O no hydrogen 2.870 N/A THR 6.A N ILE 79.A O no hydrogen 2.819 N/A THR 7.A N THR 48.A O no hydrogen 2.746 N/A THR 7.A OG1 ILE 81.A O no hydrogen 2.677 N/A ILE 8.A N THR 7.A OG1 no hydrogen 2.855 N/A GLU 10.A N VAL 14.A O no hydrogen 2.981 N/A VAL 14.A N GLU 10.A O no hydrogen 3.011 N/A MET 15.A N GLU 27.A O no hydrogen 2.855 N/A LYS 17.A N ARG 25.A O no hydrogen 2.973 N/A LYS 17.A NZ GLU 24.A O no hydrogen 2.940 N/A ASN 23.A ND2 TYR 45.A O no hydrogen 2.931 N/A ARG 25.A N GLY 22.A O no hydrogen 3.280 N/A ARG 25.A NE GLY 22.A O no hydrogen 2.659 N/A ARG 25.A NH2 GLY 22.A O no hydrogen 3.164 N/A TYR 26.A N ASN 23.A O no hydrogen 3.183 N/A GLU 27.A N MET 15.A O no hydrogen 3.020 N/A TYR 29.A N PRO 12.A O no hydrogen 2.927 N/A CYS 30.A N TYR 13.A O no hydrogen 2.916 N/A VAL 31.A N GLY 28.A O no hydrogen 2.971 N/A ASP 32.A N GLY 28.A O no hydrogen 2.937 N/A LEU 33.A N TYR 29.A O no hydrogen 2.896 N/A ALA 34.A N CYS 30.A O no hydrogen 3.066 N/A ALA 35.A N VAL 31.A O no hydrogen 3.243 N/A GLU 36.A N ASP 32.A O no hydrogen 3.029 N/A ILE 37.A N LEU 33.A O no hydrogen 2.836 N/A ALA 38.A N ALA 34.A O no hydrogen 2.920 N/A LYS 39.A N ALA 35.A O no hydrogen 2.989 N/A HIS 40.A N GLU 36.A O no hydrogen 3.010 N/A CYS 41.A N ILE 37.A O no hydrogen 2.793 N/A CYS 41.A SG ALA 222.A O no hydrogen 3.491 N/A GLY 42.A N LYS 39.A O no hydrogen 3.222 N/A PHE 43.A N ALA 38.A O no hydrogen 3.086 N/A LYS 46.A N VAL 3.A O no hydrogen 2.807 N/A LEU 47.A N ASN 23.A OD1 no hydrogen 2.885 N/A THR 48.A N VAL 5.A O no hydrogen 2.708 N/A THR 48.A OG1 VAL 5.A O no hydrogen 3.083 N/A VAL 50.A N THR 7.A O no hydrogen 2.853 N/A GLY 53.A N VAL 50.A O no hydrogen 3.274 N/A LYS 54.A N ASP 52.A OD1 no hydrogen 3.053 N/A ALA 57.A N ASN 66.A OD1 no hydrogen 2.913 N/A ASP 59.A N ILE 64.A O no hydrogen 2.912 N/A ASP 61.A N ASP 59.A OD2 no hydrogen 2.925 N/A THR 62.A N ASP 59.A OD2 no hydrogen 2.830 N/A LYS 63.A N ASP 59.A O no hydrogen 2.630 N/A ILE 64.A N THR 62.A OG1 no hydrogen 3.207 N/A TRP 65.A N TYR 74.A OH no hydrogen 3.116 N/A ASN 66.A N ALA 57.A O no hydrogen 2.940 N/A GLY 67.A N ASP 52.A OD2 no hydrogen 2.886 N/A MET 68.A N LYS 54.A O no hydrogen 3.219 N/A VAL 69.A N TYR 55.A O no hydrogen 3.146 N/A GLY 70.A N ASN 66.A O no hydrogen 3.050 N/A GLU 71.A N GLY 67.A O no hydrogen 3.194 N/A LEU 72.A N MET 68.A O no hydrogen 3.255 N/A LEU 72.A N VAL 69.A O no hydrogen 3.238 N/A VAL 73.A N VAL 69.A O no hydrogen 2.936 N/A TYR 74.A N GLY 70.A O no hydrogen 2.906 N/A GLY 75.A N LEU 72.A O no hydrogen 3.435 N/A LYS 76.A N GLU 71.A O no hydrogen 2.653 N/A LYS 76.A NZ TYR 74.A O no hydrogen 3.304 N/A ALA 77.A N GLU 71.A O no hydrogen 3.024 N/A ASP 78.A N VAL 4.A O no hydrogen 2.888 N/A ILE 79.A N VAL 4.A O no hydrogen 3.237 N/A ALA 80.A N ALA 212.A O no hydrogen 2.824 N/A ILE 81.A N THR 6.A O no hydrogen 3.331 N/A THR 85.A OG1 GLU 182.A OE2 no hydrogen 2.747 N/A ILE 86.A N GLY 208.A O no hydrogen 3.078 N/A ARG 90.A N THR 87.A OG1 no hydrogen 3.326 N/A ARG 90.A NE GLY 56.A O no hydrogen 2.976 N/A ARG 90.A NH1 THR 85.A O no hydrogen 2.941 N/A ARG 90.A NH2 GLY 56.A O no hydrogen 3.230 N/A GLU 91.A N THR 87.A O no hydrogen 2.819 N/A GLU 92.A N LEU 88.A O no hydrogen 3.157 N/A VAL 93.A N ARG 90.A O no hydrogen 2.954 N/A ILE 94.A N ARG 90.A O no hydrogen 3.025 N/A ASP 95.A N THR 213.A O no hydrogen 2.984 N/A SER 97.A N ILE 211.A O no hydrogen 2.935 N/A SER 97.A OG LYS 98.A O no hydrogen 2.890 N/A LYS 98.A N ASN 224.A OD1 no hydrogen 2.859 N/A PHE 100.A N TYR 209.A O no hydrogen 2.812 N/A LEU 103.A N LYS 207.A O no hydrogen 3.003 N/A GLY 104.A N SER 183.A OG no hydrogen 3.027 N/A ILE 105.A N ASP 205.A OD1 no hydrogen 2.824 N/A SER 106.A N LEU 181.A O no hydrogen 2.704 N/A SER 106.A OG LEU 181.A O no hydrogen 3.105 N/A MET 108.A N TYR 179.A O no hydrogen 2.888 N/A ILE 109.A N MET 198.A O no hydrogen 2.825 N/A LEU 116.A N SER 112.A O no hydrogen 3.124 N/A SER 117.A N ALA 113.A O no hydrogen 2.842 N/A SER 117.A OG GLU 114.A O no hydrogen 2.637 N/A LYS 118.A N GLU 114.A O no hydrogen 3.109 N/A GLN 119.A N LEU 116.A O no hydrogen 3.314 N/A ALA 123.A N LYS 176.A O no hydrogen 2.876 N/A TYR 124.A N TYR 150.A OH no hydrogen 3.336 N/A GLY 125.A N ALA 178.A O no hydrogen 3.359 N/A THR 126.A OG1 LEU 127.A O no hydrogen 3.053 N/A ASP 128.A N VAL 160.A O no hydrogen 2.805 N/A LYS 133.A NZ ASP 128.A O no hydrogen 2.930 N/A GLU 134.A N GLY 130.A O no hydrogen 2.973 N/A PHE 135.A N SER 131.A O no hydrogen 2.850 N/A PHE 136.A N THR 132.A O no hydrogen 3.334 N/A ARG 137.A N LYS 133.A O no hydrogen 2.901 N/A ARG 137.A NE GLU 134.A OE2 no hydrogen 2.824 N/A ARG 137.A NH2 GLU 134.A OE1 no hydrogen 2.865 N/A ARG 137.A NH2 GLU 134.A OE2 no hydrogen 3.169 N/A ARG 138.A N GLU 134.A O no hydrogen 2.976 N/A SER 139.A N PHE 136.A O no hydrogen 3.409 N/A ILE 141.A N SER 139.A OG no hydrogen 3.201 N/A ASP 145.A N ILE 141.A O no hydrogen 2.914 N/A LYS 146.A N ALA 142.A O no hydrogen 3.006 N/A MET 147.A N VAL 143.A O no hydrogen 3.139 N/A TRP 148.A N PHE 144.A O no hydrogen 2.883 N/A THR 149.A N ASP 145.A O no hydrogen 2.968 N/A THR 149.A OG1 ASP 145.A O no hydrogen 3.109 N/A TYR 150.A N LYS 146.A O no hydrogen 3.048 N/A MET 151.A N MET 147.A O no hydrogen 2.864 N/A ARG 152.A N TRP 148.A O no hydrogen 2.883 N/A SER 153.A OG THR 149.A O no hydrogen 2.990 N/A ALA 154.A N MET 151.A O no hydrogen 3.327 N/A PHE 159.A N SER 157.A OG no hydrogen 3.366 N/A VAL 160.A N THR 126.A O no hydrogen 3.067 N/A ARG 161.A N GLU 165.A OE1 no hydrogen 2.844 N/A ARG 161.A NE GLU 165.A OE1 no hydrogen 3.161 N/A THR 163.A OG1 GLU 10.A OE2 no hydrogen 2.995 N/A GLU 165.A N THR 162.A OG1 no hydrogen 3.102 N/A GLY 166.A N THR 162.A O no hydrogen 3.148 N/A VAL 167.A N THR 163.A O no hydrogen 2.845 N/A ALA 168.A N ALA 164.A O no hydrogen 2.929 N/A ARG 169.A N GLU 165.A O no hydrogen 2.952 N/A ARG 169.A NH1 SER 157.A O no hydrogen 3.014 N/A ARG 169.A NH2 SER 157.A O no hydrogen 2.705 N/A VAL 170.A N GLY 166.A O no hydrogen 2.956 N/A ARG 171.A N VAL 167.A O no hydrogen 3.004 N/A ARG 171.A NE ASP 196.A OD1 no hydrogen 2.698 N/A LYS 172.A N ALA 168.A O no hydrogen 3.007 N/A SER 173.A N VAL 170.A O no hydrogen 3.074 N/A SER 173.A OG ARG 169.A O no hydrogen 2.663 N/A LYS 176.A N SER 173.A O no hydrogen 2.755 N/A TYR 177.A OH VAL 158.A O no hydrogen 2.632 N/A ALA 178.A N ALA 123.A O no hydrogen 2.886 N/A TYR 179.A N MET 108.A O no hydrogen 2.941 N/A LEU 180.A N GLY 125.A O no hydrogen 2.988 N/A LEU 181.A N SER 106.A O no hydrogen 3.107 N/A SER 183.A N GLY 104.A O no hydrogen 2.786 N/A SER 183.A OG GLY 104.A O no hydrogen 3.205 N/A THR 184.A OG1 TYR 209.A OH no hydrogen 2.775 N/A ASN 186.A N GLU 182.A O no hydrogen 2.969 N/A ASN 186.A ND2 SER 106.A OG no hydrogen 2.868 N/A ASN 186.A ND2 ILE 107.A O no hydrogen 2.908 N/A GLU 187.A N SER 183.A O no hydrogen 2.758 N/A TYR 188.A N THR 184.A O no hydrogen 3.103 N/A ILE 189.A N MET 185.A O no hydrogen 2.888 N/A GLU 190.A N ASN 186.A O no hydrogen 3.156 N/A GLN 191.A N TYR 188.A O no hydrogen 3.018 N/A ARG 192.A N ILE 189.A O no hydrogen 3.029 N/A LYS 193.A N GLU 249.A OE1 no hydrogen 2.944 N/A LYS 193.A NZ GLU 249.A O no hydrogen 3.122 N/A CYS 195.A N ARG 192.A O no hydrogen 2.766 N/A CYS 195.A SG ARG 192.A O no hydrogen 3.790 N/A CYS 195.A SG GLU 249.A O no hydrogen 3.894 N/A MET 198.A N ILE 109.A O no hydrogen 2.787 N/A LYS 199.A NZ GLY 201.A O no hydrogen 2.992 N/A LYS 199.A NZ ASN 203.A OD1 no hydrogen 2.789 N/A VAL 200.A N ILE 107.A O no hydrogen 2.964 N/A ASN 203.A ND2 SER 183.A OG no hydrogen 3.376 N/A LEU 204.A N ILE 105.A O no hydrogen 2.739 N/A LYS 207.A N LEU 103.A O no hydrogen 2.938 N/A LYS 207.A NZ ASP 205.A OD2 no hydrogen 2.880 N/A TYR 209.A N MET 101.A O no hydrogen 2.831 N/A TYR 209.A OH GLU 182.A OE1 no hydrogen 2.657 N/A TYR 209.A OH THR 184.A OG1 no hydrogen 2.775 N/A GLY 210.A N LEU 84.A O no hydrogen 3.311 N/A ILE 211.A N SER 97.A OG no hydrogen 3.075 N/A ALA 212.A N ALA 80.A O no hydrogen 3.000 N/A THR 213.A N ASP 95.A O no hydrogen 2.981 N/A GLY 216.A N ASP 95.A OD2 no hydrogen 3.322 N/A SER 217.A N PRO 214.A O no hydrogen 2.793 N/A LEU 219.A N SER 217.A OG no hydrogen 2.972 N/A VAL 223.A N LEU 219.A O no hydrogen 2.979 N/A ASN 224.A N GLY 220.A O no hydrogen 3.006 N/A LEU 225.A N ASN 221.A O no hydrogen 3.030 N/A ALA 226.A N ALA 222.A O no hydrogen 3.038 N/A VAL 227.A N VAL 223.A O no hydrogen 3.050 N/A LEU 228.A N ASN 224.A O no hydrogen 3.029 N/A LYS 229.A N LEU 225.A O no hydrogen 2.966 N/A LEU 230.A N ALA 226.A O no hydrogen 2.900 N/A ASN 231.A N VAL 227.A O no hydrogen 2.980 N/A GLU 232.A N LEU 228.A O no hydrogen 2.951 N/A GLN 233.A N LYS 229.A O no hydrogen 2.964 N/A GLY 234.A N ASN 231.A O no hydrogen 2.973 N/A LEU 235.A N LEU 230.A O no hydrogen 2.934 N/A LYS 238.A N GLY 234.A O no hydrogen 3.061 N/A LEU 239.A N LEU 235.A O no hydrogen 2.890 N/A LYS 240.A N LEU 236.A O no hydrogen 3.045 N/A LYS 240.A NZ GLU 187.A OE1 no hydrogen 2.895 N/A ASN 241.A N ASP 237.A O no hydrogen 2.942 N/A LYS 242.A N LYS 238.A O no hydrogen 2.823 N/A LYS 242.A NZ ASP 32.A OD2 no hydrogen 2.942 N/A TRP 243.A N LEU 239.A O no hydrogen 3.284 N/A TRP 243.A NE1 ASP 32.A OD2 no hydrogen 2.850 N/A TRP 244.A N LYS 240.A O no hydrogen 2.899 N/A TRP 244.A NE1 THR 184.A O no hydrogen 2.879 N/A TYR 245.A N ASN 241.A O no hydrogen 2.923 N/A ASP 246.A N ASN 241.A O no hydrogen 2.793 N/A LYS 247.A N LYS 242.A O no hydrogen 2.948 N/A GLY 248.A N TYR 245.A O no hydrogen 2.962 N/A GLU 249.A N GLN 191.A O no hydrogen 2.691 N/A CYS 250.A SG GLU 190.A O no hydrogen 3.570 N/A